2-(2-ethylhexylamino)ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-(2-ethylhexylamino)ethanol; 2,4,6-trinitrophenol Openeye Name: 2-(2-ethylhexylamino)ethanol; picric acid CAS Name: 2-(2-ethylhexylamino)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-(2-ethylhexylamino)ethanol; 2,4,6-trinitrophenol Traditional Name: 2-(2-ethylhexylamino)ethanol; picric acid Formula: C16H26N4O8 MolecularWeight: 402.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)CNCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H23NO.C6H3N3O7/c1-3-5-6-10(4-2)9-11-7-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-12H,3-9H2,1-2H3;1-2,10H